N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfonylcarbamoylamino)piperidin-1-yl]ethanamide

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfonylcarbamoylamino)piperidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzenesulfonylcarbamoylamino)-2-oxo-1-piperidyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: 2-[(3S)-3-[[benzenesulfonamido(oxo)methyl]amino]-2-oxo-1-piperidinyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamide IUPAC Name: 2-[(3S)-3-(benzenesulfonylcarbamoylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[(3S)-3-(besylcarbamoylamino)-2-keto-piperidino]acetamide Formula: C20H29N7O6S MolecularWeight: 495.55256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)CN2CCCC(C2=O)NC(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2CCC[C@@H](C2=O)NC(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29N7O6S/c21-19(22)27-11-5-9-15(18(27)30)23-16(28)12-26-10-4-8-14(17(26)29)24-20(31)25-34(32,33)13-6-2-1-3-7-13/h1-3,6-7,14-15,18,30H,4-5,8-12H2,(H3,21,22)(H,23,28)(H2,24,25,31)/t14-,15-,18?/m0/s1